SCHEMBL898816

SCHEMBL898816

Cc1ccc(C(C)C)c2c1C(=O)c1ccccc1C2=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
MAPK1 P28482 3/20 0.53
RAB9A P51151 3/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
CYP3A4 P08684 2/20 0.53
TSHR P16473 2/20 0.53
NPC1 O15118 2/20 0.53
CASP3 P42574 1/20 0.53
HBB P68871 1/20 0.53
SENP7 Q9BQF6 1/20 0.53
SENP6 Q9GZR1 1/20 0.53
ELANE P08246 2/20 0.49
LMNA P02545 2/20 0.46
NSD2 O96028 1/20 0.46
MAOA P21397 4/20 0.45
ADORA2A P29274 3/20 0.45
FGR P09769 1/20 0.45
PIM1 P11309 1/20 0.45
CSNK1A1 P48729 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10945285 0.90 CDC25B (0.50) ALDH1A1SMN1; SMN2MAPK1RAB9AL3MBTL1
SCHEMBL30886455 0.85 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2MAPK1RAB9AL3MBTL1
SCHEMBL55743 0.85 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2MAPK1RAB9AL3MBTL1
SCHEMBL19840412 0.83 ADORA2A (0.70) ALDH1A1SMN1; SMN2MAPK1RAB9AL3MBTL1
SCHEMBL9267831 0.81 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2MAPK1RAB9AL3MBTL1
SCHEMBL16281847 0.79 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2MAPK1RAB9AL3MBTL1
SCHEMBL12750118 0.76 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2MAPK1RAB9AL3MBTL1
SCHEMBL12769790 0.76 NPC1 (0.49) ALDH1A1SMN1; SMN2MAPK1RAB9AL3MBTL1
Dichlon SCHEMBL9820419 0.76 IDO1 (0.67) ALDH1A1SMN1; SMN2MAPK1RAB9AL3MBTL1
SCHEMBL10433548 0.76 ADORA2A (0.53) ALDH1A1SMN1; SMN2MAPK1RAB9AL3MBTL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0201368-B1 MARKING AND DENATURING COMPOSITION, PARTICULARLY SUITABLE FOR MARKING AND DENATURING DIESEL OIL AND SIMILAR OIL PRODUCTS BASF Italia SpA (IT) 1989-07-19 EP claimed
WO-2012041918-A2 PROCESS FOR THE MANUFACTURE OF HYDROGEN PEROXIDE SOLVAY SA (BE) 2012-04-05 WO disclosed
EP-0201368-B1 MARKING AND DENATURING COMPOSITION, PARTICULARLY SUITABLE FOR MARKING AND DENATURING DIESEL OIL AND SIMILAR OIL PRODUCTS BASF Italia SpA (IT) 1989-07-19 EP disclosed
US-4355012-A Mixed anthraquinonedisulfonic acids AMERICAN COLOR & CHEMICAL CORPORATION (US) 1982-10-19 US disclosed